1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole

C8H10FN2- — CID 59475948

IUPAC1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole
SMILESF[CH-]n1cnc2c1CCCC2
InChIInChI=1S/C8H10FN2/c9-5-11-6-10-7-3-1-2-4-8(7)11/h5-6H,1-4H2/q-1
InChIKeyQAVAGIMVLDQSNN-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.70
Rot. Bonds1

About 1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole

1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 59475948) has the molecular formula C8H10FN2- and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole
PubChem CID59475948
Molecular FormulaC8H10FN2-
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole
SMILESF[CH-]n1cnc2c1CCCC2
InChIInChI=1S/C8H10FN2/c9-5-11-6-10-7-3-1-2-4-8(7)11/h5-6H,1-4H2/q-1
InChIKeyQAVAGIMVLDQSNN-UHFFFAOYSA-N
XLogP1.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole (CID 59475948) is 1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole is F[CH-]n1cnc2c1CCCC2.
What is the InChIKey of 1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is QAVAGIMVLDQSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN2/c9-5-11-6-10-7-3-1-2-4-8(7)11/h5-6H,1-4H2/q-1.
What are the key properties of 1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole?
1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 153.18 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 59475948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).